- InChI
- InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
- InChI Key
- WXPWZZHELZEVPO-UHFFFAOYSA-N
- Formula
- C14H12O
- SMILES
- Cc1ccc(C(=O)c2ccccc2)cc1
- Molecular Weight1
- 196.24
- CAS
- 134-84-9
- Other Names
-
- (4-Methylphenyl)(phenyl)methanone
- 4-Benzoyltoluene
- 4-Methylphenyl phenyl ketone
- 4-methylbenzophenone
- NSC 4898
- USAF DO-54
- benzophenone, 4-methyl-
- p-Benzophenone, methyl-
- p-Benzoyltoluene
- p-Methylbenzophenone
- phenyl p-tolyl ketone
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5225 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7146.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 153.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -77.80 ± 2.10 | kJ/mol | NIST |
| ΔfusH° | 21.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 ± 0.05 | eV | NIST |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.226 | Crippen Calculated Property | |
| McVol | 162.170 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Inp | [1694.00; 1694.00] |
|
|
| Inp | 1694.00 | NIST | |
| Inp | 1694.00 | NIST | |
| Tboil | 599.20 | K | NIST |
| Tc | 838.63 | K | Relay (1.0) Calculated Property |
| Tfus | [327.00; 327.00] | K |
|
| Tfus | 327.00 ± 4.00 | K | NIST |
| Tfus | 327.00 ± 3.00 | K | NIST |
| Vc | 0.599 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 72.00 | kJ/mol | 471.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.44; 490.53] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.59900e+01 | |||
| Coefficient B | 1.08852e+00 | |||
| Coefficient C | -7.14460e-04 | |||
| Coefficient D | 1.72460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 191.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 296.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 338.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 375.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 406.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 433.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 456.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 474.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 490.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030506; 0.0002026] | Pa×s | [327.00; 615.94] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15736e+01 | |||
| Coefficient B | 1.89045e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 327.00 | |||
| Temperature range, max. | 615.94 | |||
| η | 0.0030506 | Pa×s | 327.00 | Calculated Property |
| η | 0.0018194 | Pa×s | 359.10 | Calculated Property |
| η | 0.0011811 | Pa×s | 391.21 | Calculated Property |
| η | 0.0008187 | Pa×s | 423.31 | Calculated Property |
| η | 0.0005976 | Pa×s | 455.42 | Calculated Property |
| η | 0.0004547 | Pa×s | 487.52 | Calculated Property |
| η | 0.0003578 | Pa×s | 519.63 | Calculated Property |
| η | 0.0002895 | Pa×s | 551.73 | Calculated Property |
| η | 0.0002398 | Pa×s | 583.84 | Calculated Property |
| η | 0.0002026 | Pa×s | 615.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanone, (4-methylphenyl)phenyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Determination of sublimation enthalpies of substituted benzophenones, fluorenes and diphenyl ethers by solution calorimetry approach
- Joback Method
- McGowan Method
- NIST Webbook
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